1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea

C18H22N2O2 — CID 657494

IUPAC1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)14-7-9-15(10-8-14)18(3,4)20-17(21)19-12-16-6-5-11-22-16/h5-11H,1,12H2,2-4H3,(H2,19,20,21)
InChIKeyRFWCYAMKZGCCSV-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.05
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 657494) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID657494
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)14-7-9-15(10-8-14)18(3,4)20-17(21)19-12-16-6-5-11-22-16/h5-11H,1,12H2,2-4H3,(H2,19,20,21)
InChIKeyRFWCYAMKZGCCSV-UHFFFAOYSA-N
XLogP4.05
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-Furanylmethyl)-4-methylbenzamide
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N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
N-benzylfuran-2-carboxamide
CID 347531
2-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 806872

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 657494) is 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1ccc(C(C)(C)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is RFWCYAMKZGCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)14-7-9-15(10-8-14)18(3,4)20-17(21)19-12-16-6-5-11-22-16/h5-11H,1,12H2,2-4H3,(H2,19,20,21).
What are the key properties of 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 298.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 657494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).